ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate

C13H16O2 — CID 105456293

IUPACethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(C)cc2)CC1
InChIInChI=1S/C13H16O2/c1-3-15-12(14)13(8-9-13)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyNAHJLTIIJGYILQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.59
Rot. Bonds3

About ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate

ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate (PubChem CID 105456293) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
PubChem CID105456293
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Nameethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(C)cc2)CC1
InChIInChI=1S/C13H16O2/c1-3-15-12(14)13(8-9-13)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3
InChIKeyNAHJLTIIJGYILQ-UHFFFAOYSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate
CID 15029983
ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
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ethyl 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 14774392
ethyl 1-[4-(4-formylphenyl)phenyl]cyclopropane-1-carboxylate
CID 89411934
ethyl 1-(4-iodophenyl)cyclopentane-1-carboxylate
CID 142504179
ethyl 1-(4-ethoxyphenyl)cyclobutane-1-carboxylate
CID 71404430
ethyl 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylate
CID 105426581
ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 86193109
ethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate
CID 134605040
methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 59175396
ethyl 1-(3-bromophenyl)cyclopropane-1-carboxylate
CID 66765078
ethyl 1-[4-[(1-cyanocyclopropanecarbonyl)amino]phenyl]cyclopropane-1-carboxylate
CID 100789221

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate (CID 105456293) is ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate is CCOC(=O)C1(c2ccc(C)cc2)CC1.
What is the InChIKey of ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate?
The InChIKey is NAHJLTIIJGYILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-3-15-12(14)13(8-9-13)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3.
What are the key properties of ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate?
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate has a molecular weight of 204.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 105456293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).